6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine

C13H20ClN3O — CID 80970027

IUPAC6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-11-16-12(14)8(2)13(17-11)15-9(3)10-6-5-7-18-10/h9-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyXHFCLSHPXYNLOV-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.98
Rot. Bonds4

About 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine

6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 80970027) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID80970027
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC(C)C2CCCO2)n1
InChIInChI=1S/C13H20ClN3O/c1-4-11-16-12(14)8(2)13(17-11)15-9(3)10-6-5-7-18-10/h9-10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyXHFCLSHPXYNLOV-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80994059
6-hydrazinyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80995507
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80970610
2-ethyl-4-N-[1-(oxolan-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80933538
2,5-dichloro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79632789
4-N-(1-cyclopentylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985622
4-N-(1-cyclopropylethyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80993489
6-chloro-N-[1-(oxolan-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 80940573
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
2-chloro-5-fluoro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 79081832
6-chloro-2-ethyl-5-methyl-N-(6-methylheptan-2-yl)pyrimidin-4-amine
CID 80972613
6-chloro-2-ethyl-N-(4-methoxybutan-2-yl)-5-methylpyrimidin-4-amine
CID 80978229

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine (CID 80970027) is 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC(C)C2CCCO2)n1.
What is the InChIKey of 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is XHFCLSHPXYNLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-11-16-12(14)8(2)13(17-11)15-9(3)10-6-5-7-18-10/h9-10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-5-methyl-N-[1-(oxolan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80970027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).